N-[(1S)-2-(Dimethylamino)-1-Phenylethyl]-6,6-Dimethyl-3-[(2-Methylthieno[3,2-D]Pyrimidin-4-Yl)Amino]-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(1H)-Carboxamide

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Formula C25H31N8OS
IUPAC Name n-[(1s)-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidine-1,3-diium-4a-id-4-yl)amino]-4h-pyrrolo[3,4-c]pyrazole-5-carboxamide
Molecular Mass 491.632 g·mol−1
Heat of Formation 390.3 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 589.58 Å 3
Surface Area 501.49 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey AYCPARAPKDAOEN-LJQANCHMSA-N
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